N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C23H21N5O5S MolecularWeight: 479.50834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C23H21N5O5S/c29-21(16-3-7-19(8-4-16)28(31)32)25-23(34)24-17-5-9-18(10-6-17)26-11-13-27(14-12-26)22(30)20-2-1-15-33-20/h1-10,15H,11-14H2,(H2,24,25,29,34)